UCSF

ZINC12008954

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 36 No

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 11.06 -38.92 2 13 0 170 494.464 8
Mid Mid (pH 6-8) 3.03 10.72 -59.94 1 13 -1 173 493.456 8
Mid Mid (pH 6-8) 2.57 11.78 -20.55 2 13 0 170 494.464 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )